1GKA
The molecular basis of the coloration mechanism in lobster shell. beta-crustacyanin at 3.2 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Collection date | 2000-11-15 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 155.466, 155.466, 168.504 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.000 - 3.230 |
| R-factor | 0.2133 |
| Rwork | 0.213 |
| R-free | 0.25100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h91 |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.780 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.380 |
| High resolution limit [Å] | 3.000 | 3.230 |
| Rmerge | 0.124 | 0.350 |
| Total number of observations | 171943 * | |
| Number of reflections | 24504 | |
| <I/σ(I)> | 15.5 | 5.5 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * | 4 * | pH 7.70 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 3 | 1 | reservoir | sodium potassium phosphate | 1.25 (M) | pH7. |
| 4 | 1 | reservoir | HEPES | 0.05 (M) | pH7.5 |
